SCHEMBL22073048

SCHEMBL22073048

CO[C@H]1[C@H](O)[C@@H](C(=O)OCc2ccccc2)OC(OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LGALS8 O00214 1/20 0.45
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.41
AHCY P23526 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPK1 P28482 1/20 0.39
ELANE P08246 3/20 0.39
METAP2 P50579 2/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
FABP7 O15540 1/20 0.36
FABP5 Q01469 1/20 0.36
CAPN1 P07384 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5127160 0.84 LMNA (0.41) LGALS8ALDH1A1LMNACYP2D6MAPK1
SCHEMBL12703699 0.84 LMNA (0.41) LGALS8ALDH1A1LMNACYP2D6MAPK1
SCHEMBL12729420 0.84 LMNA (0.45) LGALS8ALDH1A1LMNACYP2D6MAPK1
SCHEMBL12729489 0.82 LMNA (0.43) LGALS8ALDH1A1LMNACYP2D6MAPK1
SCHEMBL7455773 0.80 LGALS8 (0.47) LGALS8ALDH1A1AHCYMAPK1TSHR
SCHEMBL12703829 0.79 TSHR (0.43) LGALS8ALDH1A1LMNACYP2D6MAPK1
SCHEMBL8724659 0.79 ALDH1A1 (0.46) LGALS8ALDH1A1LMNACYP2D6MAPK1
SCHEMBL403509 0.79 BCHE (0.45) LGALS8ALDH1A1ELANEMETAP2TSHR
SCHEMBL12778793 0.79 CYP2D6 (0.41) LGALS8ALDH1A1LMNACYP2D6MAPK1
SCHEMBL1041932 0.78 LMNA (0.39) LGALS8ALDH1A1LMNACYP2D6MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020114418-A1 ANTICOAGULANT PENTASACCHARIDE COMPOUND, COMPOSITION, AND PREPARATION METHOD AND MEDICAL USE THEREOF 南京正大天晴制药有限公司 2020-06-11 WO disclosed